DEXTROMETHADONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S95RZH8AMH

Structure
InChI Key USSIQXCVUWKGNF-KRWDZBQOSA-N
Smile CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27NO
Molecular Weight 309.45
AlogP 4.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 20.31
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - 110-3200 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 3 D003865 ClinicalTrials
Restless Legs Syndrome 2 D012148 ClinicalTrials
Neuralgia 1 D009437 ClinicalTrials

Cross References

Resources Reference
ChEBI 167308
ChEMBL CHEMBL350719
DrugBank DB15198
FDA SRS S95RZH8AMH
PubChem 643985
SureChEMBL SCHEMBL24294
ZINC ZINC000001530707
CONTENTS